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Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine
The title compound, C(12)H(20)N(2)S(4), synthesized by the reaction of 2,3,5,6-tetrakis(bromomethyl)pyrazine with sodium methanethiolate, crystallizes with a half -molecule in the asymmetric unit. The whole molecule is generated by inversion symmetry; the inversion centre being located in th...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186201/ https://www.ncbi.nlm.nih.gov/pubmed/25309236 http://dx.doi.org/10.1107/S1600536814011246 |
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author | Assoumatine, Tokouré Stoeckli-Evans, Helen |
author_facet | Assoumatine, Tokouré Stoeckli-Evans, Helen |
author_sort | Assoumatine, Tokouré |
collection | PubMed |
description | The title compound, C(12)H(20)N(2)S(4), synthesized by the reaction of 2,3,5,6-tetrakis(bromomethyl)pyrazine with sodium methanethiolate, crystallizes with a half -molecule in the asymmetric unit. The whole molecule is generated by inversion symmetry; the inversion centre being located in the centre of the pyrazine ring. The molecule has an S-shaped conformation with two (methylsulfanyl)methyl substituent arms directed above the plane of the pyrazine ring and two below. The C(H(3))—S—C(H(2))—C(aromatic) torsion angles are 70.47 (18) and −67.65 (17)°, respectively. In the crystal, molecules are linked via weak C—H⋯S hydrogen bonds, forming chains along [001] and enclosing R (2) (2)(12) ring motifs. The chains are linked by further weak C—H⋯S hydrogen bonds, forming sheets lying parallel to (101). |
format | Online Article Text |
id | pubmed-4186201 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41862012014-10-12 Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine Assoumatine, Tokouré Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(12)H(20)N(2)S(4), synthesized by the reaction of 2,3,5,6-tetrakis(bromomethyl)pyrazine with sodium methanethiolate, crystallizes with a half -molecule in the asymmetric unit. The whole molecule is generated by inversion symmetry; the inversion centre being located in the centre of the pyrazine ring. The molecule has an S-shaped conformation with two (methylsulfanyl)methyl substituent arms directed above the plane of the pyrazine ring and two below. The C(H(3))—S—C(H(2))—C(aromatic) torsion angles are 70.47 (18) and −67.65 (17)°, respectively. In the crystal, molecules are linked via weak C—H⋯S hydrogen bonds, forming chains along [001] and enclosing R (2) (2)(12) ring motifs. The chains are linked by further weak C—H⋯S hydrogen bonds, forming sheets lying parallel to (101). International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186201/ /pubmed/25309236 http://dx.doi.org/10.1107/S1600536814011246 Text en © Assoumatine and Stoeckli-Evans 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Assoumatine, Tokouré Stoeckli-Evans, Helen Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine |
title | Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine
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title_full | Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine
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title_fullStr | Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine
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title_full_unstemmed | Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine
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title_short | Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine
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title_sort | crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186201/ https://www.ncbi.nlm.nih.gov/pubmed/25309236 http://dx.doi.org/10.1107/S1600536814011246 |
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